USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 47 ASN : amide:sc= 0.2 X(o=0.41,f=0) USER MOD Set 1.2: B 51 ASN : amide:sc= 0.214 X(o=0.41,f=0) USER MOD Set 2.1: A 40 THR OG1 : rot -108:sc= 0.00327 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 15 THR OG1 : rot 28:sc= 1.21 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 127:sc= 0.389 USER MOD Single : A 29 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.113 (180deg=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -167:sc= 0.218 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : B 15 THR OG1 : rot 9:sc= 1.19 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 114:sc= 1.25 USER MOD Single : B 29 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : B 32 LYS NZ :NH3+ 166:sc= -0.0334 (180deg=-0.217) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -36:sc= 0.186 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0.0199 USER MOD Single : B 44 TYR OH : rot 35:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.123 0.352 -4.195 1.00 0.00 N ATOM 235 CA THR A 15 11.763 0.573 -3.759 1.00 0.00 C ATOM 236 C THR A 15 10.890 -0.600 -4.204 1.00 0.00 C ATOM 237 O THR A 15 11.228 -1.337 -5.127 1.00 0.00 O ATOM 238 CB THR A 15 11.314 1.955 -4.272 1.00 0.00 C ATOM 239 OG1 THR A 15 10.196 2.472 -3.583 1.00 0.00 O ATOM 240 CG2 THR A 15 10.964 1.965 -5.763 1.00 0.00 C ATOM 0 HA THR A 15 11.671 0.601 -2.673 1.00 0.00 H new ATOM 0 HB THR A 15 12.187 2.582 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.183 2.118 -2.669 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.656 2.968 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.837 1.668 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.149 1.266 -5.950 1.00 0.00 H new ATOM 248 N VAL A 16 9.706 -0.694 -3.606 1.00 0.00 N ATOM 249 CA VAL A 16 8.752 -1.772 -3.866 1.00 0.00 C ATOM 250 C VAL A 16 7.409 -1.197 -4.260 1.00 0.00 C ATOM 251 O VAL A 16 6.699 -0.650 -3.414 1.00 0.00 O ATOM 252 CB VAL A 16 8.620 -2.670 -2.635 1.00 0.00 C ATOM 253 CG1 VAL A 16 8.251 -4.082 -3.089 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.880 -2.707 -1.790 1.00 0.00 C ATOM 0 H VAL A 16 9.376 -0.016 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 16 9.120 -2.379 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 16 7.837 -2.251 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.154 -4.731 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.304 -4.055 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.031 -4.469 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.724 -3.361 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.708 -3.086 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.114 -1.701 -1.442 1.00 0.00 H new ATOM 264 N VAL A 17 7.120 -1.236 -5.555 1.00 0.00 N ATOM 265 CA VAL A 17 5.903 -0.699 -6.134 1.00 0.00 C ATOM 266 C VAL A 17 4.905 -1.810 -6.425 1.00 0.00 C ATOM 267 O VAL A 17 5.230 -2.800 -7.084 1.00 0.00 O ATOM 268 CB VAL A 17 6.277 0.134 -7.382 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.176 -0.617 -8.366 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.037 0.615 -8.136 1.00 0.00 C ATOM 0 H VAL A 17 7.744 -1.653 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 17 5.402 -0.037 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 17 6.832 0.986 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.400 0.025 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.105 -0.897 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.665 -1.515 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.343 1.196 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.453 -0.246 -8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.430 1.238 -7.479 1.00 0.00 H new ATOM 280 N ARG A 18 3.679 -1.653 -5.931 1.00 0.00 N ATOM 281 CA ARG A 18 2.609 -2.622 -6.169 1.00 0.00 C ATOM 282 C ARG A 18 1.262 -1.907 -6.050 1.00 0.00 C ATOM 283 O ARG A 18 1.168 -0.820 -5.468 1.00 0.00 O ATOM 284 CB ARG A 18 2.759 -3.849 -5.238 1.00 0.00 C ATOM 285 CG ARG A 18 1.698 -4.945 -5.458 1.00 0.00 C ATOM 286 CD ARG A 18 2.062 -6.275 -4.782 1.00 0.00 C ATOM 287 NE ARG A 18 2.604 -7.272 -5.723 1.00 0.00 N ATOM 288 CZ ARG A 18 3.173 -8.441 -5.400 1.00 0.00 C ATOM 289 NH1 ARG A 18 3.346 -8.783 -4.132 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.586 -9.274 -6.346 1.00 0.00 N ATOM 0 H ARG A 18 3.399 -0.857 -5.358 1.00 0.00 H new ATOM 0 HA ARG A 18 2.672 -3.026 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.748 -4.283 -5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.708 -3.513 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.739 -4.598 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.570 -5.110 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.795 -6.088 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.175 -6.685 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 18 2.540 -7.050 -6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.045 -8.153 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.781 -9.676 -3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.471 -9.027 -7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.018 -10.162 -6.091 1.00 0.00 H new ATOM 304 N THR A 19 0.221 -2.518 -6.609 1.00 0.00 N ATOM 305 CA THR A 19 -1.140 -2.015 -6.601 1.00 0.00 C ATOM 306 C THR A 19 -1.832 -2.581 -5.358 1.00 0.00 C ATOM 307 O THR A 19 -2.343 -3.707 -5.373 1.00 0.00 O ATOM 308 CB THR A 19 -1.852 -2.469 -7.880 1.00 0.00 C ATOM 309 OG1 THR A 19 -1.053 -2.292 -9.032 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.179 -1.748 -8.100 1.00 0.00 C ATOM 0 H THR A 19 0.311 -3.409 -7.097 1.00 0.00 H new ATOM 0 HA THR A 19 -1.163 -0.926 -6.571 1.00 0.00 H new ATOM 0 HB THR A 19 -2.043 -3.532 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.546 -2.596 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.641 -2.108 -9.020 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.844 -1.945 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.002 -0.675 -8.179 1.00 0.00 H new ATOM 318 N LEU A 20 -1.785 -1.852 -4.249 1.00 0.00 N ATOM 319 CA LEU A 20 -2.408 -2.243 -2.993 1.00 0.00 C ATOM 320 C LEU A 20 -3.746 -1.529 -2.903 1.00 0.00 C ATOM 321 O LEU A 20 -3.791 -0.309 -2.707 1.00 0.00 O ATOM 322 CB LEU A 20 -1.513 -1.902 -1.797 1.00 0.00 C ATOM 323 CG LEU A 20 -1.574 -2.974 -0.697 1.00 0.00 C ATOM 324 CD1 LEU A 20 -2.980 -3.408 -0.260 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.765 -4.206 -1.123 1.00 0.00 C ATOM 0 H LEU A 20 -1.303 -0.955 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.556 -3.323 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.483 -1.792 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.816 -0.941 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.142 -2.493 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.901 -4.166 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.523 -2.546 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.516 -3.820 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.813 -4.962 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.180 -4.613 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.274 -3.920 -1.288 1.00 0.00 H new ATOM 337 N ARG A 21 -4.823 -2.242 -3.206 1.00 0.00 N ATOM 338 CA ARG A 21 -6.172 -1.697 -3.157 1.00 0.00 C ATOM 339 C ARG A 21 -6.724 -1.867 -1.749 1.00 0.00 C ATOM 340 O ARG A 21 -6.249 -2.718 -0.998 1.00 0.00 O ATOM 341 CB ARG A 21 -7.066 -2.368 -4.207 1.00 0.00 C ATOM 342 CG ARG A 21 -6.429 -2.272 -5.599 1.00 0.00 C ATOM 343 CD ARG A 21 -7.469 -2.417 -6.706 1.00 0.00 C ATOM 344 NE ARG A 21 -6.877 -3.013 -7.914 1.00 0.00 N ATOM 345 CZ ARG A 21 -7.545 -3.334 -9.027 1.00 0.00 C ATOM 346 NH1 ARG A 21 -8.837 -3.032 -9.148 1.00 0.00 N ATOM 347 NH2 ARG A 21 -6.913 -3.977 -10.004 1.00 0.00 N ATOM 0 H ARG A 21 -4.784 -3.220 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.150 -0.634 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.223 -3.414 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.046 -1.891 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.920 -1.314 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.672 -3.048 -5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.293 -3.039 -6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.887 -1.440 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.874 -3.197 -7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.322 -2.553 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.341 -3.280 -10.000 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.928 -4.221 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.413 -4.227 -10.857 1.00 0.00 H new ATOM 361 N PHE A 22 -7.732 -1.073 -1.400 1.00 0.00 N ATOM 362 CA PHE A 22 -8.372 -1.103 -0.089 1.00 0.00 C ATOM 363 C PHE A 22 -9.867 -1.021 -0.293 1.00 0.00 C ATOM 364 O PHE A 22 -10.310 -0.520 -1.328 1.00 0.00 O ATOM 365 CB PHE A 22 -7.878 0.055 0.782 1.00 0.00 C ATOM 366 CG PHE A 22 -6.430 -0.123 1.165 1.00 0.00 C ATOM 367 CD1 PHE A 22 -6.099 -1.012 2.202 1.00 0.00 C ATOM 368 CD2 PHE A 22 -5.411 0.523 0.437 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.758 -1.239 2.520 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.064 0.302 0.769 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.739 -0.573 1.821 1.00 0.00 C ATOM 0 H PHE A 22 -8.134 -0.379 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.118 -2.028 0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.001 0.995 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.489 0.121 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.879 -1.518 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.665 1.187 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.503 -1.931 3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.281 0.802 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.706 -0.733 2.091 1.00 0.00 H new ATOM 381 N SER A 23 -10.645 -1.580 0.628 1.00 0.00 N ATOM 382 CA SER A 23 -12.100 -1.543 0.517 1.00 0.00 C ATOM 383 C SER A 23 -12.571 -0.185 1.066 1.00 0.00 C ATOM 384 O SER A 23 -11.760 0.531 1.652 1.00 0.00 O ATOM 385 CB SER A 23 -12.715 -2.750 1.235 1.00 0.00 C ATOM 386 OG SER A 23 -11.794 -3.832 1.336 1.00 0.00 O ATOM 0 H SER A 23 -10.295 -2.062 1.456 1.00 0.00 H new ATOM 0 HA SER A 23 -12.433 -1.623 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.038 -2.453 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.604 -3.079 0.697 1.00 0.00 H new ATOM 0 HG SER A 23 -11.729 -4.120 2.270 1.00 0.00 H new ATOM 392 N PRO A 24 -13.851 0.187 0.936 1.00 0.00 N ATOM 393 CA PRO A 24 -14.320 1.480 1.416 1.00 0.00 C ATOM 394 C PRO A 24 -14.277 1.595 2.941 1.00 0.00 C ATOM 395 O PRO A 24 -13.979 2.676 3.449 1.00 0.00 O ATOM 396 CB PRO A 24 -15.726 1.638 0.840 1.00 0.00 C ATOM 397 CG PRO A 24 -16.198 0.201 0.651 1.00 0.00 C ATOM 398 CD PRO A 24 -14.922 -0.547 0.290 1.00 0.00 C ATOM 0 HA PRO A 24 -13.669 2.289 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.378 2.188 1.518 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.714 2.184 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.652 -0.195 1.559 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.945 0.124 -0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.959 -1.579 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.779 -0.582 -0.790 1.00 0.00 H new ATOM 406 N VAL A 25 -14.584 0.521 3.673 1.00 0.00 N ATOM 407 CA VAL A 25 -14.565 0.517 5.134 1.00 0.00 C ATOM 408 C VAL A 25 -13.110 0.693 5.585 1.00 0.00 C ATOM 409 O VAL A 25 -12.802 1.627 6.332 1.00 0.00 O ATOM 410 CB VAL A 25 -15.235 -0.776 5.653 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.153 -0.901 7.180 1.00 0.00 C ATOM 412 CG2 VAL A 25 -16.718 -0.821 5.238 1.00 0.00 C ATOM 0 H VAL A 25 -14.854 -0.374 3.265 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.140 1.340 5.558 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.690 -1.607 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.637 -1.825 7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.108 -0.915 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.656 -0.051 7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.173 -1.738 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.239 0.040 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.792 -0.796 4.151 1.00 0.00 H new ATOM 422 N GLU A 26 -12.205 -0.153 5.077 1.00 0.00 N ATOM 423 CA GLU A 26 -10.790 -0.093 5.412 1.00 0.00 C ATOM 424 C GLU A 26 -10.218 1.279 5.066 1.00 0.00 C ATOM 425 O GLU A 26 -9.525 1.868 5.888 1.00 0.00 O ATOM 426 CB GLU A 26 -9.991 -1.188 4.685 1.00 0.00 C ATOM 427 CG GLU A 26 -10.225 -2.602 5.233 1.00 0.00 C ATOM 428 CD GLU A 26 -11.262 -3.390 4.440 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.430 -2.974 4.321 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.897 -4.437 3.847 1.00 0.00 O ATOM 0 H GLU A 26 -12.441 -0.898 4.421 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.700 -0.261 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.253 -1.172 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.929 -0.954 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.281 -3.148 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.547 -2.533 6.272 1.00 0.00 H new ATOM 437 N ASP A 27 -10.503 1.790 3.867 1.00 0.00 N ATOM 438 CA ASP A 27 -10.018 3.087 3.419 1.00 0.00 C ATOM 439 C ASP A 27 -10.487 4.191 4.332 1.00 0.00 C ATOM 440 O ASP A 27 -9.664 4.953 4.804 1.00 0.00 O ATOM 441 CB ASP A 27 -10.508 3.413 2.011 1.00 0.00 C ATOM 442 CG ASP A 27 -10.104 4.842 1.620 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.889 5.137 1.639 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.974 5.644 1.198 1.00 0.00 O ATOM 0 H ASP A 27 -11.081 1.308 3.178 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.930 3.025 3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.088 2.702 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.592 3.309 1.963 1.00 0.00 H new ATOM 449 N GLU A 28 -11.786 4.278 4.602 1.00 0.00 N ATOM 450 CA GLU A 28 -12.336 5.315 5.462 1.00 0.00 C ATOM 451 C GLU A 28 -11.659 5.293 6.830 1.00 0.00 C ATOM 452 O GLU A 28 -11.396 6.342 7.412 1.00 0.00 O ATOM 453 CB GLU A 28 -13.841 5.080 5.550 1.00 0.00 C ATOM 454 CG GLU A 28 -14.612 6.112 6.369 1.00 0.00 C ATOM 455 CD GLU A 28 -16.090 5.734 6.360 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.722 5.748 5.271 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.628 5.397 7.440 1.00 0.00 O ATOM 0 H GLU A 28 -12.483 3.633 4.231 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.150 6.308 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.250 5.062 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.014 4.094 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.235 6.142 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.474 7.108 5.949 1.00 0.00 H new ATOM 464 N THR A 29 -11.374 4.098 7.341 1.00 0.00 N ATOM 465 CA THR A 29 -10.724 3.914 8.623 1.00 0.00 C ATOM 466 C THR A 29 -9.285 4.432 8.556 1.00 0.00 C ATOM 467 O THR A 29 -8.913 5.300 9.343 1.00 0.00 O ATOM 468 CB THR A 29 -10.783 2.426 9.009 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.113 1.942 8.914 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.279 2.174 10.433 1.00 0.00 C ATOM 0 H THR A 29 -11.593 3.223 6.865 1.00 0.00 H new ATOM 0 HA THR A 29 -11.240 4.486 9.395 1.00 0.00 H new ATOM 0 HB THR A 29 -10.132 1.899 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.286 1.637 7.999 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.341 1.109 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.243 2.503 10.516 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.894 2.730 11.140 1.00 0.00 H new ATOM 478 N ILE A 30 -8.480 3.920 7.621 1.00 0.00 N ATOM 479 CA ILE A 30 -7.084 4.309 7.449 1.00 0.00 C ATOM 480 C ILE A 30 -6.998 5.807 7.142 1.00 0.00 C ATOM 481 O ILE A 30 -6.097 6.481 7.626 1.00 0.00 O ATOM 482 CB ILE A 30 -6.404 3.412 6.389 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.440 1.931 6.845 1.00 0.00 C ATOM 484 CG2 ILE A 30 -4.927 3.800 6.158 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.027 0.945 5.753 1.00 0.00 C ATOM 0 H ILE A 30 -8.788 3.213 6.954 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.529 4.151 8.374 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.956 3.551 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.779 1.808 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.448 1.687 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.491 3.143 5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.872 4.833 5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.374 3.699 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.076 -0.072 6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.702 1.040 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.008 1.162 5.433 1.00 0.00 H new ATOM 497 N ARG A 31 -7.919 6.345 6.344 1.00 0.00 N ATOM 498 CA ARG A 31 -7.980 7.751 5.974 1.00 0.00 C ATOM 499 C ARG A 31 -8.185 8.571 7.240 1.00 0.00 C ATOM 500 O ARG A 31 -7.415 9.493 7.472 1.00 0.00 O ATOM 501 CB ARG A 31 -9.096 7.939 4.930 1.00 0.00 C ATOM 502 CG ARG A 31 -9.142 9.330 4.294 1.00 0.00 C ATOM 503 CD ARG A 31 -10.236 9.355 3.213 1.00 0.00 C ATOM 504 NE ARG A 31 -10.086 10.533 2.351 1.00 0.00 N ATOM 505 CZ ARG A 31 -10.799 10.858 1.270 1.00 0.00 C ATOM 506 NH1 ARG A 31 -11.793 10.089 0.827 1.00 0.00 N ATOM 507 NH2 ARG A 31 -10.500 11.977 0.617 1.00 0.00 N ATOM 0 H ARG A 31 -8.667 5.792 5.925 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.055 8.097 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.968 7.197 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.057 7.738 5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.347 10.084 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.175 9.575 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.180 8.448 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.219 9.365 3.684 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.345 11.184 2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.027 9.226 1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.320 10.364 -0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.737 12.570 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.033 12.242 -0.211 1.00 0.00 H new ATOM 521 N LYS A 32 -9.187 8.231 8.057 1.00 0.00 N ATOM 522 CA LYS A 32 -9.481 8.935 9.299 1.00 0.00 C ATOM 523 C LYS A 32 -8.275 8.873 10.214 1.00 0.00 C ATOM 524 O LYS A 32 -7.881 9.890 10.766 1.00 0.00 O ATOM 525 CB LYS A 32 -10.711 8.329 10.013 1.00 0.00 C ATOM 526 CG LYS A 32 -11.974 9.175 9.837 1.00 0.00 C ATOM 527 CD LYS A 32 -12.487 9.216 8.388 1.00 0.00 C ATOM 528 CE LYS A 32 -13.363 10.446 8.116 1.00 0.00 C ATOM 529 NZ LYS A 32 -12.648 11.718 8.354 1.00 0.00 N ATOM 0 H LYS A 32 -9.819 7.453 7.869 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.710 9.973 9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.893 7.327 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.494 8.225 11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.759 8.780 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.770 10.192 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.638 9.219 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.060 8.312 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.712 10.418 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.247 10.406 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.083 12.472 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.708 11.967 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.650 11.611 8.083 1.00 0.00 H new ATOM 543 N LYS A 33 -7.715 7.684 10.402 1.00 0.00 N ATOM 544 CA LYS A 33 -6.572 7.479 11.268 1.00 0.00 C ATOM 545 C LYS A 33 -5.371 8.269 10.810 1.00 0.00 C ATOM 546 O LYS A 33 -4.721 8.888 11.648 1.00 0.00 O ATOM 547 CB LYS A 33 -6.224 5.991 11.323 1.00 0.00 C ATOM 548 CG LYS A 33 -7.173 5.180 12.209 1.00 0.00 C ATOM 549 CD LYS A 33 -6.913 5.501 13.683 1.00 0.00 C ATOM 550 CE LYS A 33 -7.727 4.553 14.548 1.00 0.00 C ATOM 551 NZ LYS A 33 -7.346 4.676 15.962 1.00 0.00 N ATOM 0 H LYS A 33 -8.048 6.831 9.952 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.842 7.833 12.263 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.243 5.583 10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.205 5.877 11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.208 5.410 11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.030 4.114 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.852 5.399 13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.186 6.534 13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.789 4.770 14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.574 3.527 14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.915 4.019 16.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.338 4.446 16.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.515 5.650 16.284 1.00 0.00 H new ATOM 565 N ALA A 34 -5.068 8.243 9.518 1.00 0.00 N ATOM 566 CA ALA A 34 -3.930 8.951 8.976 1.00 0.00 C ATOM 567 C ALA A 34 -4.103 10.450 9.172 1.00 0.00 C ATOM 568 O ALA A 34 -3.239 11.108 9.745 1.00 0.00 O ATOM 569 CB ALA A 34 -3.761 8.609 7.498 1.00 0.00 C ATOM 0 H ALA A 34 -5.608 7.729 8.822 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.029 8.642 9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.902 9.146 7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.602 7.536 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.658 8.900 6.952 1.00 0.00 H new ATOM 575 N GLU A 35 -5.235 10.974 8.711 1.00 0.00 N ATOM 576 CA GLU A 35 -5.543 12.392 8.774 1.00 0.00 C ATOM 577 C GLU A 35 -5.590 12.902 10.221 1.00 0.00 C ATOM 578 O GLU A 35 -5.105 14.004 10.480 1.00 0.00 O ATOM 579 CB GLU A 35 -6.799 12.648 7.919 1.00 0.00 C ATOM 580 CG GLU A 35 -6.772 13.952 7.105 1.00 0.00 C ATOM 581 CD GLU A 35 -7.430 13.759 5.728 1.00 0.00 C ATOM 582 OE1 GLU A 35 -6.771 13.193 4.825 1.00 0.00 O ATOM 583 OE2 GLU A 35 -8.613 14.140 5.543 1.00 0.00 O ATOM 0 H GLU A 35 -5.971 10.416 8.279 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.745 12.994 8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.931 11.811 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.670 12.663 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.292 14.737 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.741 14.282 6.976 1.00 0.00 H new ATOM 590 N ASP A 36 -6.095 12.100 11.168 1.00 0.00 N ATOM 591 CA ASP A 36 -6.187 12.427 12.600 1.00 0.00 C ATOM 592 C ASP A 36 -4.792 12.362 13.236 1.00 0.00 C ATOM 593 O ASP A 36 -4.449 13.125 14.148 1.00 0.00 O ATOM 594 CB ASP A 36 -7.160 11.468 13.303 1.00 0.00 C ATOM 595 CG ASP A 36 -7.332 11.779 14.794 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.611 12.955 15.135 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.257 10.848 15.616 1.00 0.00 O ATOM 0 H ASP A 36 -6.464 11.174 10.952 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.573 13.440 12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.132 11.520 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.800 10.446 13.190 1.00 0.00 H new ATOM 602 N SER A 37 -3.960 11.444 12.741 1.00 0.00 N ATOM 603 CA SER A 37 -2.582 11.250 13.164 1.00 0.00 C ATOM 604 C SER A 37 -1.745 12.421 12.618 1.00 0.00 C ATOM 605 O SER A 37 -0.624 12.642 13.073 1.00 0.00 O ATOM 606 CB SER A 37 -2.097 9.884 12.633 1.00 0.00 C ATOM 607 OG SER A 37 -0.735 9.600 12.863 1.00 0.00 O ATOM 0 H SER A 37 -4.243 10.794 12.008 1.00 0.00 H new ATOM 0 HA SER A 37 -2.484 11.240 14.250 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.698 9.099 13.093 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.284 9.842 11.560 1.00 0.00 H new ATOM 0 HG SER A 37 -0.518 8.718 12.496 1.00 0.00 H new ATOM 613 N GLY A 38 -2.279 13.209 11.677 1.00 0.00 N ATOM 614 CA GLY A 38 -1.618 14.341 11.043 1.00 0.00 C ATOM 615 C GLY A 38 -0.718 13.900 9.895 1.00 0.00 C ATOM 616 O GLY A 38 -0.189 14.751 9.176 1.00 0.00 O ATOM 0 H GLY A 38 -3.225 13.063 11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.368 15.038 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.025 14.878 11.784 1.00 0.00 H new ATOM 620 N LEU A 39 -0.495 12.593 9.758 1.00 0.00 N ATOM 621 CA LEU A 39 0.316 11.975 8.742 1.00 0.00 C ATOM 622 C LEU A 39 -0.573 11.758 7.526 1.00 0.00 C ATOM 623 O LEU A 39 -1.784 11.992 7.528 1.00 0.00 O ATOM 624 CB LEU A 39 0.832 10.611 9.259 1.00 0.00 C ATOM 625 CG LEU A 39 1.732 10.645 10.510 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.185 9.218 10.844 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.967 11.534 10.318 1.00 0.00 C ATOM 0 H LEU A 39 -0.904 11.910 10.395 1.00 0.00 H new ATOM 0 HA LEU A 39 1.172 12.600 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.030 9.980 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.386 10.128 8.454 1.00 0.00 H new ATOM 0 HG LEU A 39 1.146 11.068 11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.822 9.236 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.312 8.595 11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.743 8.807 10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.568 11.524 11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.562 11.156 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.651 12.555 10.104 1.00 0.00 H new ATOM 639 N THR A 40 0.036 11.325 6.442 1.00 0.00 N ATOM 640 CA THR A 40 -0.662 11.013 5.215 1.00 0.00 C ATOM 641 C THR A 40 -0.880 9.500 5.271 1.00 0.00 C ATOM 642 O THR A 40 -0.133 8.780 5.944 1.00 0.00 O ATOM 643 CB THR A 40 0.169 11.472 4.004 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.332 10.863 2.830 1.00 0.00 O ATOM 645 CG2 THR A 40 1.658 11.146 4.170 1.00 0.00 C ATOM 0 H THR A 40 1.044 11.178 6.389 1.00 0.00 H new ATOM 0 HA THR A 40 -1.617 11.528 5.108 1.00 0.00 H new ATOM 0 HB THR A 40 0.081 12.556 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.295 10.175 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.205 11.488 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.044 11.649 5.057 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.785 10.069 4.280 1.00 0.00 H new ATOM 653 N VAL A 41 -1.873 8.996 4.541 1.00 0.00 N ATOM 654 CA VAL A 41 -2.183 7.576 4.473 1.00 0.00 C ATOM 655 C VAL A 41 -0.907 6.788 4.146 1.00 0.00 C ATOM 656 O VAL A 41 -0.699 5.740 4.741 1.00 0.00 O ATOM 657 CB VAL A 41 -3.321 7.338 3.457 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.630 5.850 3.227 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.627 7.995 3.923 1.00 0.00 C ATOM 0 H VAL A 41 -2.492 9.574 3.973 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.542 7.215 5.437 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.960 7.779 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.439 5.754 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.740 5.348 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.930 5.391 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.410 7.810 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.924 7.573 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.476 9.069 4.030 1.00 0.00 H new ATOM 669 N SER A 42 -0.037 7.252 3.241 1.00 0.00 N ATOM 670 CA SER A 42 1.181 6.518 2.906 1.00 0.00 C ATOM 671 C SER A 42 2.099 6.341 4.123 1.00 0.00 C ATOM 672 O SER A 42 2.621 5.245 4.332 1.00 0.00 O ATOM 673 CB SER A 42 1.893 7.198 1.732 1.00 0.00 C ATOM 674 OG SER A 42 1.965 8.597 1.933 1.00 0.00 O ATOM 0 H SER A 42 -0.156 8.128 2.732 1.00 0.00 H new ATOM 0 HA SER A 42 0.903 5.511 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.898 6.789 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.360 6.986 0.805 1.00 0.00 H new ATOM 0 HG SER A 42 2.424 9.013 1.174 1.00 0.00 H new ATOM 680 N ALA A 43 2.308 7.404 4.910 1.00 0.00 N ATOM 681 CA ALA A 43 3.140 7.380 6.110 1.00 0.00 C ATOM 682 C ALA A 43 2.489 6.493 7.163 1.00 0.00 C ATOM 683 O ALA A 43 3.149 5.632 7.733 1.00 0.00 O ATOM 684 CB ALA A 43 3.332 8.783 6.689 1.00 0.00 C ATOM 0 H ALA A 43 1.895 8.318 4.724 1.00 0.00 H new ATOM 0 HA ALA A 43 4.118 6.986 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.956 8.726 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.815 9.419 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.362 9.204 6.951 1.00 0.00 H new ATOM 690 N TYR A 44 1.193 6.691 7.409 1.00 0.00 N ATOM 691 CA TYR A 44 0.449 5.915 8.383 1.00 0.00 C ATOM 692 C TYR A 44 0.559 4.419 8.043 1.00 0.00 C ATOM 693 O TYR A 44 0.899 3.631 8.914 1.00 0.00 O ATOM 694 CB TYR A 44 -0.989 6.435 8.443 1.00 0.00 C ATOM 695 CG TYR A 44 -1.863 5.645 9.390 1.00 0.00 C ATOM 696 CD1 TYR A 44 -1.869 5.916 10.772 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.642 4.598 8.875 1.00 0.00 C ATOM 698 CE1 TYR A 44 -2.640 5.118 11.640 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.437 3.819 9.729 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.426 4.062 11.121 1.00 0.00 C ATOM 701 OH TYR A 44 -4.225 3.311 11.925 1.00 0.00 O ATOM 0 H TYR A 44 0.634 7.399 6.932 1.00 0.00 H new ATOM 0 HA TYR A 44 0.866 6.030 9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.979 7.480 8.753 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.423 6.403 7.444 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.284 6.734 11.166 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.630 4.391 7.815 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.631 5.312 12.702 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.057 3.034 9.323 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.524 2.515 11.438 1.00 0.00 H new ATOM 711 N ILE A 45 0.355 4.031 6.775 1.00 0.00 N ATOM 712 CA ILE A 45 0.436 2.647 6.298 1.00 0.00 C ATOM 713 C ILE A 45 1.787 2.030 6.664 1.00 0.00 C ATOM 714 O ILE A 45 1.833 1.049 7.398 1.00 0.00 O ATOM 715 CB ILE A 45 0.194 2.587 4.765 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.285 2.819 4.386 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.722 1.288 4.114 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.181 1.599 4.523 1.00 0.00 C ATOM 0 H ILE A 45 0.123 4.692 6.034 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.344 2.064 6.788 1.00 0.00 H new ATOM 0 HB ILE A 45 0.778 3.413 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.684 3.617 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.330 3.170 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.521 1.310 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.796 1.208 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.221 0.428 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.199 1.861 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.814 0.803 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.174 1.257 5.558 1.00 0.00 H new ATOM 730 N ARG A 46 2.884 2.560 6.110 1.00 0.00 N ATOM 731 CA ARG A 46 4.226 2.036 6.365 1.00 0.00 C ATOM 732 C ARG A 46 4.527 2.019 7.854 1.00 0.00 C ATOM 733 O ARG A 46 5.033 1.023 8.343 1.00 0.00 O ATOM 734 CB ARG A 46 5.300 2.781 5.543 1.00 0.00 C ATOM 735 CG ARG A 46 5.415 4.274 5.891 1.00 0.00 C ATOM 736 CD ARG A 46 6.157 5.107 4.848 1.00 0.00 C ATOM 737 NE ARG A 46 7.616 4.957 4.908 1.00 0.00 N ATOM 738 CZ ARG A 46 8.457 5.604 4.092 1.00 0.00 C ATOM 739 NH1 ARG A 46 7.990 6.442 3.169 1.00 0.00 N ATOM 740 NH2 ARG A 46 9.766 5.422 4.159 1.00 0.00 N ATOM 0 H ARG A 46 2.864 3.359 5.477 1.00 0.00 H new ATOM 0 HA ARG A 46 4.255 1.001 6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.266 2.303 5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.069 2.680 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.413 4.683 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.926 4.374 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.811 4.822 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.902 6.158 4.985 1.00 0.00 H new ATOM 0 HE ARG A 46 8.009 4.327 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.985 6.595 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.637 6.932 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.157 4.776 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.384 5.928 3.525 1.00 0.00 H new ATOM 754 N ASN A 47 4.213 3.091 8.575 1.00 0.00 N ATOM 755 CA ASN A 47 4.473 3.178 9.997 1.00 0.00 C ATOM 756 C ASN A 47 3.766 2.075 10.772 1.00 0.00 C ATOM 757 O ASN A 47 4.430 1.320 11.483 1.00 0.00 O ATOM 758 CB ASN A 47 4.075 4.567 10.493 1.00 0.00 C ATOM 759 CG ASN A 47 4.481 4.716 11.941 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.672 4.707 12.253 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.513 4.838 12.818 1.00 0.00 N ATOM 0 H ASN A 47 3.770 3.922 8.183 1.00 0.00 H new ATOM 0 HA ASN A 47 5.539 3.031 10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.558 5.334 9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.999 4.709 10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.732 4.931 13.810 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.541 4.840 12.508 1.00 0.00 H new ATOM 768 N ALA A 48 2.449 1.965 10.606 1.00 0.00 N ATOM 769 CA ALA A 48 1.627 0.969 11.281 1.00 0.00 C ATOM 770 C ALA A 48 2.042 -0.456 10.901 1.00 0.00 C ATOM 771 O ALA A 48 1.911 -1.382 11.700 1.00 0.00 O ATOM 772 CB ALA A 48 0.160 1.221 10.916 1.00 0.00 C ATOM 0 H ALA A 48 1.917 2.577 9.988 1.00 0.00 H new ATOM 0 HA ALA A 48 1.766 1.062 12.358 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.470 0.484 11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.128 2.221 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.034 1.137 9.837 1.00 0.00 H new ATOM 778 N ALA A 49 2.559 -0.635 9.684 1.00 0.00 N ATOM 779 CA ALA A 49 3.002 -1.925 9.180 1.00 0.00 C ATOM 780 C ALA A 49 4.334 -2.391 9.774 1.00 0.00 C ATOM 781 O ALA A 49 4.596 -3.586 9.759 1.00 0.00 O ATOM 782 CB ALA A 49 3.130 -1.861 7.658 1.00 0.00 C ATOM 0 H ALA A 49 2.681 0.126 9.016 1.00 0.00 H new ATOM 0 HA ALA A 49 2.248 -2.651 9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.462 -2.828 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.162 -1.614 7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.857 -1.096 7.386 1.00 0.00 H new ATOM 788 N LEU A 50 5.182 -1.492 10.278 1.00 0.00 N ATOM 789 CA LEU A 50 6.485 -1.858 10.836 1.00 0.00 C ATOM 790 C LEU A 50 6.461 -1.923 12.360 1.00 0.00 C ATOM 791 O LEU A 50 7.138 -2.769 12.948 1.00 0.00 O ATOM 792 CB LEU A 50 7.528 -0.812 10.408 1.00 0.00 C ATOM 793 CG LEU A 50 7.636 -0.614 8.882 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.061 0.818 8.564 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.602 -1.581 8.209 1.00 0.00 C ATOM 0 H LEU A 50 4.985 -0.492 10.311 1.00 0.00 H new ATOM 0 HA LEU A 50 6.739 -2.848 10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.279 0.143 10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.503 -1.108 10.794 1.00 0.00 H new ATOM 0 HG LEU A 50 6.643 -0.820 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.134 0.945 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.322 1.514 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.031 1.019 9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.627 -1.384 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.600 -1.447 8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.271 -2.605 8.382 1.00 0.00 H new ATOM 807 N ASN A 51 5.746 -0.988 12.989 1.00 0.00 N ATOM 808 CA ASN A 51 5.651 -0.909 14.448 1.00 0.00 C ATOM 809 C ASN A 51 4.812 -2.019 15.053 1.00 0.00 C ATOM 810 O ASN A 51 4.906 -2.174 16.294 1.00 0.00 O ATOM 811 CB ASN A 51 5.144 0.472 14.893 1.00 0.00 C ATOM 812 CG ASN A 51 6.219 1.517 14.662 1.00 0.00 C ATOM 813 OD1 ASN A 51 6.985 1.881 15.555 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.371 1.965 13.430 1.00 0.00 N ATOM 0 H ASN A 51 5.217 -0.265 12.502 1.00 0.00 H new ATOM 0 HA ASN A 51 6.663 -1.049 14.829 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.244 0.735 14.337 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.871 0.446 15.948 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.126 2.616 13.214 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.734 1.660 12.694 1.00 0.00 H new ATOM 1055 N THR B 15 -13.577 0.781 -3.998 1.00 0.00 N ATOM 1056 CA THR B 15 -12.226 0.448 -3.594 1.00 0.00 C ATOM 1057 C THR B 15 -11.322 1.649 -3.907 1.00 0.00 C ATOM 1058 O THR B 15 -11.729 2.610 -4.566 1.00 0.00 O ATOM 1059 CB THR B 15 -11.801 -0.850 -4.308 1.00 0.00 C ATOM 1060 OG1 THR B 15 -10.702 -1.500 -3.708 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.456 -0.672 -5.791 1.00 0.00 C ATOM 0 HA THR B 15 -12.149 0.256 -2.524 1.00 0.00 H new ATOM 0 HB THR B 15 -12.697 -1.462 -4.211 1.00 0.00 H new ATOM 0 HG1 THR B 15 -10.492 -1.067 -2.854 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.168 -1.634 -6.215 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.326 -0.286 -6.323 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.629 0.031 -5.890 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.075 1.564 -3.469 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.043 2.567 -3.663 1.00 0.00 C ATOM 1071 C VAL B 16 -7.964 1.918 -4.514 1.00 0.00 C ATOM 1072 O VAL B 16 -7.750 0.709 -4.399 1.00 0.00 O ATOM 1073 CB VAL B 16 -8.449 2.956 -2.297 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.465 4.132 -2.371 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.527 3.305 -1.275 1.00 0.00 C ATOM 0 H VAL B 16 -9.741 0.755 -2.944 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.442 3.462 -4.140 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.907 2.065 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -7.085 4.352 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.634 3.870 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.976 5.010 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -9.058 3.572 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -10.115 4.147 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -10.180 2.445 -1.126 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.273 2.684 -5.352 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.193 2.175 -6.169 1.00 0.00 C ATOM 1087 C VAL B 17 -5.106 3.242 -6.199 1.00 0.00 C ATOM 1088 O VAL B 17 -5.259 4.319 -6.783 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.693 1.655 -7.522 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.237 2.735 -8.456 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.587 0.845 -8.206 1.00 0.00 C ATOM 0 H VAL B 17 -7.453 3.680 -5.479 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.741 1.278 -5.745 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.549 1.015 -7.305 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.568 2.277 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.079 3.237 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.453 3.462 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.947 0.477 -9.167 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.715 1.480 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.311 0.000 -7.575 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.027 2.974 -5.473 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.880 3.868 -5.375 1.00 0.00 C ATOM 1103 C ARG B 18 -1.595 3.051 -5.484 1.00 0.00 C ATOM 1104 O ARG B 18 -1.585 1.834 -5.287 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.007 4.728 -4.100 1.00 0.00 C ATOM 1106 CG ARG B 18 -1.728 5.488 -3.708 1.00 0.00 C ATOM 1107 CD ARG B 18 -1.950 6.425 -2.528 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.537 7.717 -2.912 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.093 8.612 -2.084 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -3.208 8.365 -0.782 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -3.523 9.763 -2.584 1.00 0.00 N ATOM 0 H ARG B 18 -3.923 2.118 -4.928 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.847 4.578 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.812 5.449 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -3.299 4.084 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -0.945 4.772 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -1.373 6.063 -4.563 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.604 5.938 -1.804 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -0.997 6.601 -2.029 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.519 7.955 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.870 7.482 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.634 9.058 -0.167 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -3.427 9.953 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.949 10.458 -1.971 1.00 0.00 H new ATOM 1125 N THR B 19 -0.510 3.725 -5.827 1.00 0.00 N ATOM 1126 CA THR B 19 0.808 3.145 -5.991 1.00 0.00 C ATOM 1127 C THR B 19 1.579 3.383 -4.689 1.00 0.00 C ATOM 1128 O THR B 19 2.238 4.412 -4.498 1.00 0.00 O ATOM 1129 CB THR B 19 1.452 3.808 -7.209 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.551 3.835 -8.306 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.707 3.089 -7.679 1.00 0.00 C ATOM 0 H THR B 19 -0.526 4.729 -6.005 1.00 0.00 H new ATOM 0 HA THR B 19 0.792 2.070 -6.172 1.00 0.00 H new ATOM 0 HB THR B 19 1.714 4.815 -6.885 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.983 4.265 -9.074 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.119 3.606 -8.546 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.444 3.082 -6.876 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.458 2.064 -7.952 1.00 0.00 H new ATOM 1139 N LEU B 20 1.429 2.458 -3.746 1.00 0.00 N ATOM 1140 CA LEU B 20 2.083 2.520 -2.440 1.00 0.00 C ATOM 1141 C LEU B 20 3.515 1.999 -2.580 1.00 0.00 C ATOM 1142 O LEU B 20 3.732 0.800 -2.753 1.00 0.00 O ATOM 1143 CB LEU B 20 1.281 1.755 -1.366 1.00 0.00 C ATOM 1144 CG LEU B 20 1.236 2.444 0.015 1.00 0.00 C ATOM 1145 CD1 LEU B 20 2.601 2.903 0.549 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.287 3.650 0.007 1.00 0.00 C ATOM 0 H LEU B 20 0.842 1.633 -3.868 1.00 0.00 H new ATOM 0 HA LEU B 20 2.120 3.555 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.260 1.618 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.713 0.761 -1.248 1.00 0.00 H new ATOM 0 HG LEU B 20 0.871 1.667 0.687 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.471 3.375 1.523 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.261 2.041 0.649 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.041 3.619 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.278 4.113 0.994 1.00 0.00 H new ATOM 0 HD22 LEU B 20 0.628 4.376 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.720 3.319 -0.248 1.00 0.00 H new ATOM 1158 N ARG B 21 4.483 2.912 -2.557 1.00 0.00 N ATOM 1159 CA ARG B 21 5.914 2.663 -2.674 1.00 0.00 C ATOM 1160 C ARG B 21 6.561 2.526 -1.290 1.00 0.00 C ATOM 1161 O ARG B 21 6.204 3.288 -0.389 1.00 0.00 O ATOM 1162 CB ARG B 21 6.510 3.816 -3.502 1.00 0.00 C ATOM 1163 CG ARG B 21 5.905 3.807 -4.928 1.00 0.00 C ATOM 1164 CD ARG B 21 6.913 4.070 -6.049 1.00 0.00 C ATOM 1165 NE ARG B 21 7.023 5.481 -6.449 1.00 0.00 N ATOM 1166 CZ ARG B 21 7.995 5.957 -7.238 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.879 5.146 -7.808 1.00 0.00 N ATOM 1168 NH2 ARG B 21 8.074 7.260 -7.456 1.00 0.00 N ATOM 0 H ARG B 21 4.275 3.905 -2.450 1.00 0.00 H new ATOM 0 HA ARG B 21 6.111 1.718 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.304 4.769 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG B 21 7.594 3.714 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.432 2.840 -5.102 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.119 4.560 -4.980 1.00 0.00 H new ATOM 0 HD2 ARG B 21 7.894 3.718 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG B 21 6.631 3.479 -6.920 1.00 0.00 H new ATOM 0 HE ARG B 21 6.319 6.134 -6.106 1.00 0.00 H new ATOM 0 HH11 ARG B 21 8.825 4.140 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG B 21 9.611 5.529 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG B 21 7.399 7.891 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG B 21 8.810 7.633 -8.055 1.00 0.00 H new ATOM 1182 N PHE B 22 7.534 1.619 -1.135 1.00 0.00 N ATOM 1183 CA PHE B 22 8.251 1.344 0.132 1.00 0.00 C ATOM 1184 C PHE B 22 9.757 1.367 -0.068 1.00 0.00 C ATOM 1185 O PHE B 22 10.209 1.415 -1.212 1.00 0.00 O ATOM 1186 CB PHE B 22 7.875 -0.037 0.695 1.00 0.00 C ATOM 1187 CG PHE B 22 6.450 -0.148 1.166 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.441 -0.373 0.221 1.00 0.00 C ATOM 1189 CD2 PHE B 22 6.124 -0.028 2.532 1.00 0.00 C ATOM 1190 CE1 PHE B 22 4.111 -0.456 0.635 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.785 -0.135 2.946 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.770 -0.338 1.995 1.00 0.00 C ATOM 0 H PHE B 22 7.859 1.035 -1.906 1.00 0.00 H new ATOM 0 HA PHE B 22 7.956 2.128 0.830 1.00 0.00 H new ATOM 0 HB2 PHE B 22 8.051 -0.790 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.539 -0.270 1.527 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.691 -0.482 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.902 0.146 3.260 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.333 -0.613 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.536 -0.061 3.994 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.738 -0.403 2.305 1.00 0.00 H new ATOM 1202 N SER B 23 10.534 1.328 1.015 1.00 0.00 N ATOM 1203 CA SER B 23 11.996 1.319 0.959 1.00 0.00 C ATOM 1204 C SER B 23 12.470 -0.134 1.127 1.00 0.00 C ATOM 1205 O SER B 23 11.682 -0.967 1.578 1.00 0.00 O ATOM 1206 CB SER B 23 12.551 2.192 2.094 1.00 0.00 C ATOM 1207 OG SER B 23 11.796 3.375 2.282 1.00 0.00 O ATOM 0 H SER B 23 10.163 1.302 1.965 1.00 0.00 H new ATOM 0 HA SER B 23 12.350 1.716 0.008 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.558 1.618 3.020 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.586 2.455 1.874 1.00 0.00 H new ATOM 0 HG SER B 23 11.354 3.345 3.156 1.00 0.00 H new ATOM 1213 N PRO B 24 13.740 -0.473 0.838 1.00 0.00 N ATOM 1214 CA PRO B 24 14.213 -1.845 0.983 1.00 0.00 C ATOM 1215 C PRO B 24 14.297 -2.281 2.447 1.00 0.00 C ATOM 1216 O PRO B 24 14.186 -3.475 2.713 1.00 0.00 O ATOM 1217 CB PRO B 24 15.585 -1.878 0.316 1.00 0.00 C ATOM 1218 CG PRO B 24 16.080 -0.448 0.483 1.00 0.00 C ATOM 1219 CD PRO B 24 14.801 0.370 0.311 1.00 0.00 C ATOM 0 HA PRO B 24 13.518 -2.545 0.519 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.251 -2.595 0.797 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.517 -2.162 -0.734 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.535 -0.288 1.461 1.00 0.00 H new ATOM 0 HG3 PRO B 24 16.830 -0.189 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO B 24 14.861 1.314 0.853 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.627 0.614 -0.737 1.00 0.00 H new ATOM 1227 N VAL B 25 14.521 -1.343 3.376 1.00 0.00 N ATOM 1228 CA VAL B 25 14.609 -1.613 4.807 1.00 0.00 C ATOM 1229 C VAL B 25 13.209 -2.040 5.263 1.00 0.00 C ATOM 1230 O VAL B 25 13.031 -3.151 5.757 1.00 0.00 O ATOM 1231 CB VAL B 25 15.137 -0.358 5.542 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.218 -0.574 7.058 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.521 0.093 5.058 1.00 0.00 C ATOM 0 H VAL B 25 14.648 -0.358 3.144 1.00 0.00 H new ATOM 0 HA VAL B 25 15.313 -2.412 5.039 1.00 0.00 H new ATOM 0 HB VAL B 25 14.411 0.420 5.308 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.593 0.331 7.535 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.226 -0.804 7.446 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.893 -1.403 7.272 1.00 0.00 H new ATOM 0 HG21 VAL B 25 16.831 0.977 5.615 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.242 -0.708 5.219 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.475 0.331 3.995 1.00 0.00 H new ATOM 1243 N GLU B 26 12.209 -1.185 5.025 1.00 0.00 N ATOM 1244 CA GLU B 26 10.813 -1.416 5.374 1.00 0.00 C ATOM 1245 C GLU B 26 10.289 -2.710 4.753 1.00 0.00 C ATOM 1246 O GLU B 26 9.604 -3.485 5.415 1.00 0.00 O ATOM 1247 CB GLU B 26 9.971 -0.219 4.887 1.00 0.00 C ATOM 1248 CG GLU B 26 10.120 1.015 5.789 1.00 0.00 C ATOM 1249 CD GLU B 26 11.171 1.989 5.276 1.00 0.00 C ATOM 1250 OE1 GLU B 26 12.381 1.716 5.386 1.00 0.00 O ATOM 1251 OE2 GLU B 26 10.772 2.996 4.647 1.00 0.00 O ATOM 0 H GLU B 26 12.359 -0.285 4.569 1.00 0.00 H new ATOM 0 HA GLU B 26 10.735 -1.515 6.457 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.269 0.040 3.871 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.921 -0.510 4.847 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.160 1.526 5.861 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.387 0.695 6.796 1.00 0.00 H new ATOM 1258 N ASP B 27 10.608 -2.941 3.482 1.00 0.00 N ATOM 1259 CA ASP B 27 10.179 -4.122 2.750 1.00 0.00 C ATOM 1260 C ASP B 27 10.719 -5.414 3.334 1.00 0.00 C ATOM 1261 O ASP B 27 10.042 -6.433 3.290 1.00 0.00 O ATOM 1262 CB ASP B 27 10.660 -4.014 1.319 1.00 0.00 C ATOM 1263 CG ASP B 27 10.205 -5.223 0.505 1.00 0.00 C ATOM 1264 OD1 ASP B 27 8.999 -5.543 0.504 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.048 -5.834 -0.189 1.00 0.00 O ATOM 0 H ASP B 27 11.179 -2.303 2.928 1.00 0.00 H new ATOM 0 HA ASP B 27 9.091 -4.158 2.814 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.274 -3.100 0.868 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.748 -3.945 1.300 1.00 0.00 H new ATOM 1270 N GLU B 28 11.956 -5.404 3.814 1.00 0.00 N ATOM 1271 CA GLU B 28 12.598 -6.554 4.421 1.00 0.00 C ATOM 1272 C GLU B 28 11.774 -6.932 5.654 1.00 0.00 C ATOM 1273 O GLU B 28 11.342 -8.075 5.778 1.00 0.00 O ATOM 1274 CB GLU B 28 14.055 -6.171 4.720 1.00 0.00 C ATOM 1275 CG GLU B 28 14.991 -7.336 5.034 1.00 0.00 C ATOM 1276 CD GLU B 28 16.425 -6.804 5.128 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.787 -6.190 6.156 1.00 0.00 O ATOM 1278 OE2 GLU B 28 17.211 -6.960 4.159 1.00 0.00 O ATOM 0 H GLU B 28 12.551 -4.576 3.790 1.00 0.00 H new ATOM 0 HA GLU B 28 12.634 -7.433 3.778 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.453 -5.629 3.862 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.065 -5.482 5.565 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.702 -7.810 5.972 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.921 -8.097 4.257 1.00 0.00 H new ATOM 1285 N THR B 29 11.489 -5.958 6.520 1.00 0.00 N ATOM 1286 CA THR B 29 10.730 -6.142 7.743 1.00 0.00 C ATOM 1287 C THR B 29 9.334 -6.694 7.452 1.00 0.00 C ATOM 1288 O THR B 29 8.990 -7.778 7.932 1.00 0.00 O ATOM 1289 CB THR B 29 10.660 -4.789 8.473 1.00 0.00 C ATOM 1290 OG1 THR B 29 11.956 -4.255 8.636 1.00 0.00 O ATOM 1291 CG2 THR B 29 9.993 -4.900 9.842 1.00 0.00 C ATOM 0 H THR B 29 11.792 -4.994 6.379 1.00 0.00 H new ATOM 0 HA THR B 29 11.225 -6.876 8.379 1.00 0.00 H new ATOM 0 HB THR B 29 10.053 -4.129 7.854 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.899 -3.394 9.100 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.969 -3.919 10.316 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.975 -5.270 9.722 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.559 -5.591 10.467 1.00 0.00 H new ATOM 1299 N ILE B 30 8.550 -5.958 6.660 1.00 0.00 N ATOM 1300 CA ILE B 30 7.186 -6.310 6.295 1.00 0.00 C ATOM 1301 C ILE B 30 7.154 -7.686 5.638 1.00 0.00 C ATOM 1302 O ILE B 30 6.299 -8.494 5.979 1.00 0.00 O ATOM 1303 CB ILE B 30 6.579 -5.209 5.395 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.414 -3.885 6.177 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.213 -5.646 4.807 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.222 -2.659 5.277 1.00 0.00 C ATOM 0 H ILE B 30 8.860 -5.078 6.247 1.00 0.00 H new ATOM 0 HA ILE B 30 6.570 -6.371 7.192 1.00 0.00 H new ATOM 0 HB ILE B 30 7.273 -5.048 4.570 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.557 -3.972 6.845 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.293 -3.731 6.803 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.815 -4.848 4.180 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.346 -6.547 4.208 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.516 -5.851 5.620 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.113 -1.768 5.895 1.00 0.00 H new ATOM 0 HD12 ILE B 30 7.089 -2.546 4.626 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.327 -2.791 4.669 1.00 0.00 H new ATOM 1318 N ARG B 31 8.049 -7.979 4.693 1.00 0.00 N ATOM 1319 CA ARG B 31 8.065 -9.276 4.017 1.00 0.00 C ATOM 1320 C ARG B 31 8.331 -10.404 4.997 1.00 0.00 C ATOM 1321 O ARG B 31 7.672 -11.437 4.909 1.00 0.00 O ATOM 1322 CB ARG B 31 9.132 -9.263 2.920 1.00 0.00 C ATOM 1323 CG ARG B 31 9.272 -10.587 2.159 1.00 0.00 C ATOM 1324 CD ARG B 31 10.378 -10.385 1.125 1.00 0.00 C ATOM 1325 NE ARG B 31 10.499 -11.532 0.219 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.043 -11.514 -1.000 1.00 0.00 C ATOM 1327 NH1 ARG B 31 11.634 -10.413 -1.460 1.00 0.00 N ATOM 1328 NH2 ARG B 31 10.979 -12.608 -1.741 1.00 0.00 N ATOM 0 H ARG B 31 8.773 -7.334 4.378 1.00 0.00 H new ATOM 0 HA ARG B 31 7.085 -9.449 3.572 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.895 -8.472 2.209 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.093 -9.012 3.368 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.523 -11.400 2.840 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.333 -10.856 1.674 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.172 -9.485 0.545 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.327 -10.225 1.636 1.00 0.00 H new ATOM 0 HE ARG B 31 10.134 -12.425 0.551 1.00 0.00 H new ATOM 0 HH11 ARG B 31 11.674 -9.575 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG B 31 12.047 -10.408 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG B 31 10.520 -13.444 -1.378 1.00 0.00 H new ATOM 0 HH22 ARG B 31 11.388 -12.616 -2.675 1.00 0.00 H new ATOM 1342 N LYS B 32 9.314 -10.237 5.884 1.00 0.00 N ATOM 1343 CA LYS B 32 9.659 -11.268 6.851 1.00 0.00 C ATOM 1344 C LYS B 32 8.463 -11.567 7.731 1.00 0.00 C ATOM 1345 O LYS B 32 8.117 -12.735 7.906 1.00 0.00 O ATOM 1346 CB LYS B 32 10.847 -10.848 7.731 1.00 0.00 C ATOM 1347 CG LYS B 32 12.190 -11.420 7.278 1.00 0.00 C ATOM 1348 CD LYS B 32 12.790 -10.716 6.060 1.00 0.00 C ATOM 1349 CE LYS B 32 14.067 -11.406 5.583 1.00 0.00 C ATOM 1350 NZ LYS B 32 13.832 -12.782 5.103 1.00 0.00 N ATOM 0 H LYS B 32 9.884 -9.393 5.948 1.00 0.00 H new ATOM 0 HA LYS B 32 9.948 -12.160 6.295 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.912 -9.760 7.740 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.656 -11.165 8.756 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.897 -11.357 8.105 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.063 -12.478 7.047 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.060 -10.702 5.251 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.009 -9.678 6.310 1.00 0.00 H new ATOM 0 HE2 LYS B 32 14.514 -10.818 4.781 1.00 0.00 H new ATOM 0 HE3 LYS B 32 14.788 -11.430 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.667 -13.114 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.661 -13.409 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 13.003 -12.794 4.476 1.00 0.00 H new ATOM 1364 N LYS B 33 7.879 -10.515 8.302 1.00 0.00 N ATOM 1365 CA LYS B 33 6.738 -10.597 9.191 1.00 0.00 C ATOM 1366 C LYS B 33 5.548 -11.224 8.492 1.00 0.00 C ATOM 1367 O LYS B 33 4.985 -12.182 9.010 1.00 0.00 O ATOM 1368 CB LYS B 33 6.384 -9.183 9.660 1.00 0.00 C ATOM 1369 CG LYS B 33 7.279 -8.665 10.789 1.00 0.00 C ATOM 1370 CD LYS B 33 6.660 -9.027 12.143 1.00 0.00 C ATOM 1371 CE LYS B 33 7.586 -8.559 13.260 1.00 0.00 C ATOM 1372 NZ LYS B 33 6.952 -8.663 14.587 1.00 0.00 N ATOM 0 H LYS B 33 8.201 -9.559 8.150 1.00 0.00 H new ATOM 0 HA LYS B 33 6.992 -11.226 10.044 1.00 0.00 H new ATOM 0 HB2 LYS B 33 6.453 -8.501 8.812 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.347 -9.170 9.996 1.00 0.00 H new ATOM 0 HG2 LYS B 33 8.275 -9.100 10.705 1.00 0.00 H new ATOM 0 HG3 LYS B 33 7.395 -7.584 10.708 1.00 0.00 H new ATOM 0 HD2 LYS B 33 5.681 -8.558 12.246 1.00 0.00 H new ATOM 0 HD3 LYS B 33 6.506 -10.104 12.209 1.00 0.00 H new ATOM 0 HE2 LYS B 33 8.499 -9.155 13.247 1.00 0.00 H new ATOM 0 HE3 LYS B 33 7.878 -7.525 13.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 7.617 -8.335 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 6.095 -8.074 14.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 6.696 -9.654 14.773 1.00 0.00 H new ATOM 1386 N ALA B 34 5.180 -10.685 7.334 1.00 0.00 N ATOM 1387 CA ALA B 34 4.050 -11.150 6.554 1.00 0.00 C ATOM 1388 C ALA B 34 4.173 -12.634 6.231 1.00 0.00 C ATOM 1389 O ALA B 34 3.274 -13.421 6.532 1.00 0.00 O ATOM 1390 CB ALA B 34 3.954 -10.311 5.275 1.00 0.00 C ATOM 0 H ALA B 34 5.671 -9.899 6.908 1.00 0.00 H new ATOM 0 HA ALA B 34 3.137 -11.029 7.136 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.107 -10.651 4.679 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.815 -9.262 5.537 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.872 -10.422 4.697 1.00 0.00 H new ATOM 1396 N GLU B 35 5.301 -13.022 5.638 1.00 0.00 N ATOM 1397 CA GLU B 35 5.516 -14.402 5.245 1.00 0.00 C ATOM 1398 C GLU B 35 5.537 -15.356 6.439 1.00 0.00 C ATOM 1399 O GLU B 35 4.939 -16.434 6.364 1.00 0.00 O ATOM 1400 CB GLU B 35 6.784 -14.492 4.392 1.00 0.00 C ATOM 1401 CG GLU B 35 6.854 -15.862 3.721 1.00 0.00 C ATOM 1402 CD GLU B 35 7.889 -15.906 2.609 1.00 0.00 C ATOM 1403 OE1 GLU B 35 7.628 -15.375 1.501 1.00 0.00 O ATOM 1404 OE2 GLU B 35 8.969 -16.500 2.825 1.00 0.00 O ATOM 0 H GLU B 35 6.076 -12.396 5.422 1.00 0.00 H new ATOM 0 HA GLU B 35 4.669 -14.729 4.641 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.783 -13.706 3.637 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.665 -14.335 5.014 1.00 0.00 H new ATOM 0 HG2 GLU B 35 7.094 -16.618 4.468 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.875 -16.115 3.314 1.00 0.00 H new ATOM 1411 N ASP B 36 6.205 -14.967 7.527 1.00 0.00 N ATOM 1412 CA ASP B 36 6.313 -15.772 8.738 1.00 0.00 C ATOM 1413 C ASP B 36 4.947 -15.934 9.395 1.00 0.00 C ATOM 1414 O ASP B 36 4.630 -17.008 9.908 1.00 0.00 O ATOM 1415 CB ASP B 36 7.281 -15.108 9.718 1.00 0.00 C ATOM 1416 CG ASP B 36 7.368 -15.900 11.013 1.00 0.00 C ATOM 1417 OD1 ASP B 36 8.078 -16.927 11.028 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.766 -15.449 12.018 1.00 0.00 O ATOM 0 H ASP B 36 6.691 -14.072 7.589 1.00 0.00 H new ATOM 0 HA ASP B 36 6.691 -16.758 8.468 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.270 -15.034 9.265 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.950 -14.091 9.930 1.00 0.00 H new ATOM 1423 N SER B 37 4.127 -14.884 9.348 1.00 0.00 N ATOM 1424 CA SER B 37 2.793 -14.874 9.907 1.00 0.00 C ATOM 1425 C SER B 37 1.807 -15.591 8.977 1.00 0.00 C ATOM 1426 O SER B 37 0.655 -15.778 9.366 1.00 0.00 O ATOM 1427 CB SER B 37 2.369 -13.418 10.137 1.00 0.00 C ATOM 1428 OG SER B 37 1.185 -13.321 10.907 1.00 0.00 O ATOM 0 H SER B 37 4.386 -14.001 8.908 1.00 0.00 H new ATOM 0 HA SER B 37 2.790 -15.409 10.857 1.00 0.00 H new ATOM 0 HB2 SER B 37 3.173 -12.883 10.641 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.216 -12.930 9.175 1.00 0.00 H new ATOM 0 HG SER B 37 0.584 -14.061 10.678 1.00 0.00 H new ATOM 1434 N GLY B 38 2.208 -15.988 7.764 1.00 0.00 N ATOM 1435 CA GLY B 38 1.331 -16.667 6.820 1.00 0.00 C ATOM 1436 C GLY B 38 0.249 -15.751 6.230 1.00 0.00 C ATOM 1437 O GLY B 38 -0.701 -16.250 5.615 1.00 0.00 O ATOM 0 H GLY B 38 3.155 -15.844 7.414 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.931 -17.078 6.008 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.852 -17.508 7.320 1.00 0.00 H new ATOM 1441 N LEU B 39 0.344 -14.437 6.456 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.573 -13.421 5.973 1.00 0.00 C ATOM 1443 C LEU B 39 0.222 -12.685 4.913 1.00 0.00 C ATOM 1444 O LEU B 39 1.150 -11.957 5.254 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.018 -12.425 7.067 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.736 -12.972 8.314 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.431 -11.806 9.028 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.781 -14.052 8.014 1.00 0.00 C ATOM 0 H LEU B 39 1.104 -14.042 7.010 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.494 -13.877 5.611 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.132 -11.887 7.405 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.677 -11.693 6.600 1.00 0.00 H new ATOM 0 HG LEU B 39 -0.971 -13.442 8.932 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.945 -12.177 9.915 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.688 -11.065 9.323 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.155 -11.346 8.355 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.240 -14.383 8.946 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.549 -13.643 7.357 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.299 -14.899 7.526 1.00 0.00 H new ATOM 1460 N THR B 40 -0.108 -12.882 3.637 1.00 0.00 N ATOM 1461 CA THR B 40 0.564 -12.234 2.515 1.00 0.00 C ATOM 1462 C THR B 40 0.724 -10.730 2.796 1.00 0.00 C ATOM 1463 O THR B 40 -0.094 -10.126 3.495 1.00 0.00 O ATOM 1464 CB THR B 40 -0.212 -12.574 1.232 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.437 -12.114 0.063 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.651 -12.048 1.245 1.00 0.00 C ATOM 0 H THR B 40 -0.862 -13.507 3.351 1.00 0.00 H new ATOM 0 HA THR B 40 1.580 -12.603 2.377 1.00 0.00 H new ATOM 0 HB THR B 40 -0.242 -13.663 1.212 1.00 0.00 H new ATOM 0 HG1 THR B 40 -0.095 -12.356 -0.723 1.00 0.00 H new ATOM 0 HG21 THR B 40 -2.146 -12.320 0.313 1.00 0.00 H new ATOM 0 HG22 THR B 40 -2.191 -12.487 2.084 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.641 -10.963 1.347 1.00 0.00 H new ATOM 1474 N VAL B 41 1.760 -10.113 2.224 1.00 0.00 N ATOM 1475 CA VAL B 41 2.107 -8.707 2.396 1.00 0.00 C ATOM 1476 C VAL B 41 0.878 -7.804 2.323 1.00 0.00 C ATOM 1477 O VAL B 41 0.749 -6.901 3.145 1.00 0.00 O ATOM 1478 CB VAL B 41 3.245 -8.338 1.420 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.532 -6.832 1.366 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.540 -9.057 1.826 1.00 0.00 C ATOM 0 H VAL B 41 2.405 -10.603 1.603 1.00 0.00 H new ATOM 0 HA VAL B 41 2.492 -8.539 3.402 1.00 0.00 H new ATOM 0 HB VAL B 41 2.909 -8.653 0.432 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.342 -6.641 0.662 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.636 -6.302 1.041 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.822 -6.481 2.356 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.337 -8.791 1.132 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.822 -8.756 2.835 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.381 -10.135 1.800 1.00 0.00 H new ATOM 1490 N SER B 42 -0.043 -8.021 1.385 1.00 0.00 N ATOM 1491 CA SER B 42 -1.226 -7.171 1.315 1.00 0.00 C ATOM 1492 C SER B 42 -2.147 -7.336 2.529 1.00 0.00 C ATOM 1493 O SER B 42 -2.647 -6.335 3.044 1.00 0.00 O ATOM 1494 CB SER B 42 -1.967 -7.396 0.002 1.00 0.00 C ATOM 1495 OG SER B 42 -2.042 -8.775 -0.292 1.00 0.00 O ATOM 0 H SER B 42 0.005 -8.758 0.681 1.00 0.00 H new ATOM 0 HA SER B 42 -0.885 -6.136 1.341 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.971 -6.977 0.067 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.455 -6.873 -0.806 1.00 0.00 H new ATOM 0 HG SER B 42 -2.522 -8.904 -1.137 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.397 -8.572 2.975 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.233 -8.837 4.138 1.00 0.00 C ATOM 1503 C ALA B 43 -2.575 -8.238 5.374 1.00 0.00 C ATOM 1504 O ALA B 43 -3.270 -7.671 6.218 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.426 -10.338 4.355 1.00 0.00 C ATOM 0 H ALA B 43 -2.023 -9.413 2.536 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.210 -8.385 3.966 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -4.054 -10.501 5.231 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.905 -10.774 3.478 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.456 -10.811 4.511 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.253 -8.374 5.471 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.460 -7.857 6.559 1.00 0.00 C ATOM 1513 C TYR B 44 -0.632 -6.338 6.588 1.00 0.00 C ATOM 1514 O TYR B 44 -1.034 -5.794 7.607 1.00 0.00 O ATOM 1515 CB TYR B 44 0.983 -8.308 6.353 1.00 0.00 C ATOM 1516 CG TYR B 44 1.922 -7.776 7.401 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.559 -6.541 7.194 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.161 -8.512 8.573 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.510 -6.083 8.115 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.087 -8.037 9.513 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.805 -6.848 9.260 1.00 0.00 C ATOM 1522 OH TYR B 44 4.829 -6.482 10.069 1.00 0.00 O ATOM 0 H TYR B 44 -0.699 -8.863 4.768 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.776 -8.236 7.531 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.021 -9.397 6.358 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.323 -7.982 5.370 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.316 -5.946 6.326 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.635 -9.438 8.749 1.00 0.00 H new ATOM 0 HE1 TYR B 44 4.017 -5.144 7.947 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.251 -8.581 10.431 1.00 0.00 H new ATOM 0 HH TYR B 44 4.891 -5.504 10.097 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.397 -5.653 5.459 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.536 -4.201 5.355 1.00 0.00 C ATOM 1534 C ILE B 45 -1.939 -3.796 5.798 1.00 0.00 C ATOM 1535 O ILE B 45 -2.075 -2.941 6.671 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.215 -3.711 3.922 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.285 -3.753 3.581 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.740 -2.289 3.664 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.161 -2.847 4.439 1.00 0.00 C ATOM 0 H ILE B 45 -0.103 -6.098 4.589 1.00 0.00 H new ATOM 0 HA ILE B 45 0.186 -3.720 6.015 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.732 -4.416 3.271 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.638 -4.779 3.683 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.413 -3.475 2.535 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.491 -1.988 2.646 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.822 -2.272 3.793 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.279 -1.597 4.369 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.201 -2.944 4.126 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.841 -1.812 4.320 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.069 -3.137 5.486 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.974 -4.389 5.191 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.376 -4.120 5.509 1.00 0.00 C ATOM 1553 C ARG B 46 -4.581 -4.150 7.023 1.00 0.00 C ATOM 1554 O ARG B 46 -4.918 -3.143 7.624 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.299 -5.172 4.856 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.710 -4.967 3.387 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.411 -6.201 2.757 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.940 -7.168 3.747 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.913 -8.078 3.614 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.621 -8.215 2.502 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -8.139 -8.907 4.622 1.00 0.00 N ATOM 0 H ARG B 46 -2.855 -5.082 4.452 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.629 -3.134 5.118 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -4.805 -6.141 4.932 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -6.210 -5.231 5.452 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -6.378 -4.108 3.322 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -4.823 -4.726 2.801 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.231 -5.857 2.127 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.703 -6.714 2.106 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.498 -7.136 4.666 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -8.434 -7.612 1.701 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -9.353 -8.923 2.447 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.578 -8.842 5.471 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.874 -9.611 4.549 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.376 -5.318 7.613 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.544 -5.616 9.024 1.00 0.00 C ATOM 1577 C ASN B 47 -3.765 -4.687 9.944 1.00 0.00 C ATOM 1578 O ASN B 47 -4.341 -4.130 10.879 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.145 -7.072 9.279 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.134 -7.349 10.770 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.146 -7.171 11.440 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.002 -7.757 11.298 1.00 0.00 N ATOM 0 H ASN B 47 -4.068 -6.134 7.084 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.596 -5.456 9.262 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.845 -7.743 8.781 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.160 -7.268 8.856 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -2.943 -7.938 12.300 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.183 -7.893 10.706 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.470 -4.519 9.689 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.607 -3.677 10.499 1.00 0.00 C ATOM 1591 C ALA B 48 -2.067 -2.225 10.519 1.00 0.00 C ATOM 1592 O ALA B 48 -1.853 -1.530 11.505 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.174 -3.760 9.973 1.00 0.00 C ATOM 0 H ALA B 48 -1.991 -4.968 8.908 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.655 -4.045 11.524 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.474 -3.128 10.581 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.173 -4.792 10.025 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.146 -3.419 8.938 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.714 -1.775 9.448 1.00 0.00 N ATOM 1600 CA ALA B 49 -3.194 -0.407 9.331 1.00 0.00 C ATOM 1601 C ALA B 49 -4.580 -0.189 9.937 1.00 0.00 C ATOM 1602 O ALA B 49 -5.020 0.948 10.061 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.282 -0.085 7.856 1.00 0.00 C ATOM 0 H ALA B 49 -2.920 -2.354 8.634 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.500 0.233 9.876 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.640 0.937 7.727 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.296 -0.184 7.403 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.974 -0.775 7.374 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.310 -1.251 10.269 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.655 -1.135 10.833 1.00 0.00 C ATOM 1611 C LEU B 50 -6.651 -1.424 12.321 1.00 0.00 C ATOM 1612 O LEU B 50 -7.466 -0.870 13.060 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.586 -2.143 10.157 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.658 -1.971 8.631 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.041 -3.308 8.007 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.590 -0.851 8.201 1.00 0.00 C ATOM 0 H LEU B 50 -4.989 -2.213 10.156 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.999 -0.115 10.664 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.246 -3.153 10.387 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.587 -2.041 10.575 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.675 -1.668 8.270 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.096 -3.201 6.924 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.290 -4.056 8.260 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.011 -3.624 8.390 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.597 -0.781 7.113 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.599 -1.060 8.557 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.244 0.092 8.623 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.717 -2.262 12.755 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.546 -2.691 14.137 1.00 0.00 C ATOM 1630 C ASN B 51 -4.212 -2.233 14.695 1.00 0.00 C ATOM 1631 O ASN B 51 -4.180 -1.194 15.387 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.704 -4.215 14.212 1.00 0.00 C ATOM 1633 CG ASN B 51 -7.111 -4.630 13.820 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -8.085 -4.258 14.475 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -7.260 -5.324 12.706 1.00 0.00 N ATOM 0 H ASN B 51 -5.030 -2.678 12.127 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.314 -2.228 14.757 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -4.981 -4.693 13.551 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.487 -4.559 15.223 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -8.195 -5.561 12.374 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.440 -5.623 12.178 1.00 0.00 H new